4-(5-chlorothiophen-2-yl)selenadiazole

C6H3ClN2SSe — CID 139085019

IUPAC4-(5-chlorothiophen-2-yl)selenadiazole
SMILESClc1ccc(-c2c[se]nn2)s1
InChIInChI=1S/C6H3ClN2SSe/c7-6-2-1-5(10-6)4-3-11-9-8-4/h1-3H
InChIKeyMWVSLKVQCADXSL-UHFFFAOYSA-N
MW249.58 g/mol
LogP1.92
Rot. Bonds1

About 4-(5-chlorothiophen-2-yl)selenadiazole

4-(5-chlorothiophen-2-yl)selenadiazole (PubChem CID 139085019) has the molecular formula C6H3ClN2SSe and a molecular weight of 249.58 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)selenadiazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)selenadiazole
PubChem CID139085019
Molecular FormulaC6H3ClN2SSe
Molecular Weight249.58 g/mol
Exact Mass249.89
IUPAC Name4-(5-chlorothiophen-2-yl)selenadiazole
SMILESClc1ccc(-c2c[se]nn2)s1
InChIInChI=1S/C6H3ClN2SSe/c7-6-2-1-5(10-6)4-3-11-9-8-4/h1-3H
InChIKeyMWVSLKVQCADXSL-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.58
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)selenadiazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)selenadiazole (CID 139085019) is 4-(5-chlorothiophen-2-yl)selenadiazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)selenadiazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)selenadiazole is Clc1ccc(-c2c[se]nn2)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)selenadiazole?
The InChIKey is MWVSLKVQCADXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2SSe/c7-6-2-1-5(10-6)4-3-11-9-8-4/h1-3H.
What are the key properties of 4-(5-chlorothiophen-2-yl)selenadiazole?
4-(5-chlorothiophen-2-yl)selenadiazole has a molecular weight of 249.58 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)selenadiazole is sourced from PubChem (CID 139085019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).